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Materials Data on K2NaAlAs2 by Materials Project

K2NaAlAs2 is Matlockite-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are a spread of K–As bond distances ranging from 3.36–3.51 Å. Na1+ is bonded to four equivalent As3- atoms to form distorted NaAs4 tetrahedra that share corners with four equivalent AlAs4 tetrahedra, edges with two equivalent NaAs4 tetrahedra, and edges with two equivalent AlAs4 tetrahedra. All Na–As bond lengths are 2.98 Å. Al3+ is bonded to four equivalent As3- atoms to form AlAs4 tetrahedra that share corners with four equivalent NaAs4 tetrahedra, edges with two equivalent NaAs4 tetrahedra, and edges with two equivalent AlAs4 tetrahedra. All Al–As bond lengths are 2.56 Å. As3- is bonded in a 9-coordinate geometry to four equivalent K1+, two equivalent Na1+, and two equivalent Al3+ atoms.

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